1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine

C12H16BrClN2 — CID 103815288

IUPAC1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H16BrClN2/c13-10-1-2-12(14)9(7-10)8-16-5-3-11(15)4-6-16/h1-2,7,11H,3-6,8,15H2
InChIKeyWBRQKRQKRILLAO-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.03
Rot. Bonds2

About 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine

1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine (PubChem CID 103815288) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
PubChem CID103815288
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H16BrClN2/c13-10-1-2-12(14)9(7-10)8-16-5-3-11(15)4-6-16/h1-2,7,11H,3-6,8,15H2
InChIKeyWBRQKRQKRILLAO-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71844482
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
1-[4-[(5-bromo-2-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56789122
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909746
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine (CID 103815288) is 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine is NC1CCN(Cc2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine?
The InChIKey is WBRQKRQKRILLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-10-1-2-12(14)9(7-10)8-16-5-3-11(15)4-6-16/h1-2,7,11H,3-6,8,15H2.
What are the key properties of 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine?
1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine has a molecular weight of 303.63 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 103815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).